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Browsing by Subject Two transition states

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Showing results 1 to 9 of 9

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Aug-2017	Cu-1-08-O	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-181.09876491; eV
	9-Aug-2017	Cu-1-09-O	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-181.34706058; eV
	9-Aug-2017	Pd-1-08-O	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-294.03169545; eV
	9-Aug-2017	Pd-1-09-O	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-293.86303802; eV
	9-Aug-2017	Pt-1-08-O	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-335.29166655; eV
	9-Aug-2017	Pt-1-09-O	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-335.09220156; eV
	9-Aug-2017	Pt-3-39-alt	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-320.46864574; eV
	9-Aug-2017	Ru-1-08-O	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-371.02273300; eV
	9-Aug-2017	Ru-1-09-O	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-371.03976002; eV

Showing results 1 to 9 of 9